(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene

C23H40FN5O — CID 142879981

IUPAC(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene
SMILESC=CC.CF.[H]/N=C(\C=C)c1nccn1C/C(N)=C(/C=C(\N)CCC(C)(C)O)CCC
InChIInChI=1S/C19H31N5O.C3H6.CH3F/c1-5-7-14(12-15(20)8-9-19(3,4)25)17(22)13-24-11-10-23-18(24)16(21)6-2;1-3-2;1-2/h6,10-12,21,25H,2,5,7-9,13,20,22H2,1,3-4H3;3H,1H2,2H3;1H3/b15-12-,17-14-,21-16+;;
InChIKeyUAGMJYISYVPJRO-AIHQRPABSA-N
MW421.61 g/mol
LogP4.62
Rot. Bonds10

About (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene

(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene (PubChem CID 142879981) has the molecular formula C23H40FN5O and a molecular weight of 421.61 g/mol. Its IUPAC name is (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene.

Molecular Properties

Compound Name(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene
PubChem CID142879981
Molecular FormulaC23H40FN5O
Molecular Weight421.61 g/mol
Exact Mass421.32
IUPAC Name(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene
SMILESC=CC.CF.[H]/N=C(\C=C)c1nccn1C/C(N)=C(/C=C(\N)CCC(C)(C)O)CCC
InChIInChI=1S/C19H31N5O.C3H6.CH3F/c1-5-7-14(12-15(20)8-9-19(3,4)25)17(22)13-24-11-10-23-18(24)16(21)6-2;1-3-2;1-2/h6,10-12,21,25H,2,5,7-9,13,20,22H2,1,3-4H3;3H,1H2,2H3;1H3/b15-12-,17-14-,21-16+;;
InChIKeyUAGMJYISYVPJRO-AIHQRPABSA-N
XLogP4.62
TPSA113.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 54.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide
CID 142996727
3,7-Dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol
CID 102307375
1-(1-Butyl-3-methylimidazol-3-ium-2-yl)-3,7-dimethyloct-6-en-3-ol
CID 102307378
(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol
CID 142879982

Frequently Asked Questions

What is the IUPAC name of (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene?
The IUPAC name of (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene (CID 142879981) is (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene.
What is the SMILES notation for (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene?
The canonical SMILES for (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene is C=CC.CF.[H]/N=C(\C=C)c1nccn1C/C(N)=C(/C=C(\N)CCC(C)(C)O)CCC.
What is the InChIKey of (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene?
The InChIKey is UAGMJYISYVPJRO-AIHQRPABSA-N. The full InChI is InChI=1S/C19H31N5O.C3H6.CH3F/c1-5-7-14(12-15(20)8-9-19(3,4)25)17(22)13-24-11-10-23-18(24)16(21)6-2;1-3-2;1-2/h6,10-12,21,25H,2,5,7-9,13,20,22H2,1,3-4H3;3H,1H2,2H3;1H3/b15-12-,17-14-,21-16+;;.
What are the key properties of (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene?
(Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene has a molecular weight of 421.61 g/mol, XLogP of 4.62, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7Z)-5-amino-7-[1-amino-2-(2-prop-2-enimidoylimidazol-1-yl)ethylidene]-2-methyldec-5-en-2-ol;fluoromethane;prop-1-ene is sourced from PubChem (CID 142879981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).